Re: AMBER: Regarding neutral Arginine unit

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Tue, 15 Jan 2008 11:28:21 -0500

I don't think so since arg pka is 12 or so. are you sure you want to
do this? it can really change your prot to neutralize the side chains.

On 1/15/08, jani sahil <genomejani.gmail.com> wrote:
> Hello ,
> I am simulating a acid protease which is charged protein.
> So I want to neutralize all the charged side chains. I can see
> that amber has parameters for neutral forms of Asp, Glu, Lys and His, but
> I don't see a neutral form for Arg
>
> please can any one suggest e how i can neutralize Arg
>
> Thanking in anticipation
>
>
> Regards
> Jani Vinod
> 


-- 
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Carlos L. Simmerling, Ph.D.
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Stony Brook University              E-mail: carlos.simmerling.gmail.com
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Received on Wed Jan 16 2008 - 06:07:28 PST
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